4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenyl-cyclohexen-1-yl]ethenyl]-2,6-diphenyl-thiopyrylium tetrafluoroborate

Systemtic Name: 4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenyl-cyclohexen-1-yl]ethenyl]-2,6-diphenyl-thiopyrylium tetrafluoroborate Openeye Name: 4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenyl-cyclohexen-1-yl]vinyl]-2,6-diphenyl-thiopyrylium tetrafluoroborate CAS Name: 4-[(E)-2-[(3E)-3-[2-(2,6-diphenyl-4-thiopyranylidene)ethylidene]-2-phenyl-1-cyclohexenyl]ethenyl]-2,6-diphenylthiopyrylium tetrafluoroborate IUPAC Name: 4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium tetrafluoroborate Traditional Name: 4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenyl-cyclohexen-1-yl]vinyl]-2,6-diphenyl-thiopyrylium tetrafluoroborate Formula: C50H39BF4S2 MolecularWeight: 790.779273

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1CC(=C(C(=CC=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C1)C5=CC=CC=C5)C=CC6=CC(=[S+]C(=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

[B-](F)(F)(F)F.C1CC(=C(/C(=C/C=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)/C1)C5=CC=CC=C5)/C=C/C6=CC(=[S+]C(=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C50H39S2.BF4/c1-6-17-39(18-7-1)46-33-37(34-47(51-46)40-19-8-2-9-20-40)29-31-44-27-16-28-45(50(44)43-25-14-5-15-26-43)32-30-38-35-48(41-21-10-3-11-22-41)52-49(36-38)42-23-12-4-13-24-42;2-1(3,4)5/h1-15,17-26,29-36H,16,27-28H2;/q+1;-1